2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol

C56H51Cl3N14O3 — CID 158439618

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol (PubChem CID 158439618) has the molecular formula C56H51Cl3N14O3 and a molecular weight of 1074.48 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol
• PubChem CID: 158439618
• Molecular Formula: C56H51Cl3N14O3
• Molecular Weight: 1074.48 g/mol
• Exact Mass: 1072.33
• IUPAC Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol
• SMILES: CN(C)CCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cc1nn(CCO)c2nnc(-c3ccccc3)c(Cl)c12.OCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C23H23ClN6O.C19H15ClN4O.C14H13ClN4O/c1-29(2)14-13-25-18(31)15-30-23-19(21(28-30)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;20-16-15-17(13-7-3-1-4-8-13)23-24(11-12-25)19(15)22-21-18(16)14-9-5-2-6-10-14;1-9-11-12(15)13(10-5-3-2-4-6-10)16-17-14(11)19(18-9)7-8-20/h3-12H,13-15H2,1-2H3,(H,25,31);1-10,25H,11-12H2;2-6,20H,7-8H2,1H3
• InChIKey: HCQOBFFCDCSRPT-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 203.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1074.48
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol?

The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol (CID 158439618) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol.

What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol?

The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol is CN(C)CCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cc1nn(CCO)c2nnc(-c3ccccc3)c(Cl)c12.OCCn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.

What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol?

The InChIKey is HCQOBFFCDCSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O.C19H15ClN4O.C14H13ClN4O/c1-29(2)14-13-25-18(31)15-30-23-19(21(28-30)16-9-5-3-6-10-16)20(24)22(26-27-23)17-11-7-4-8-12-17;20-16-15-17(13-7-3-1-4-8-13)23-24(11-12-25)19(15)22-21-18(16)14-9-5-2-6-10-14;1-9-11-12(15)13(10-5-3-2-4-6-10)16-17-14(11)19(18-9)7-8-20/h3-12H,13-15H2,1-2H3,(H,25,31);1-10,25H,11-12H2;2-6,20H,7-8H2,1H3.

What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol?

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol has a molecular weight of 1074.48 g/mol, XLogP of 9.74, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol;2-(4-chloro-3-methyl-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)ethanol is sourced from PubChem (CID 158439618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).